3-methyl-1-oxidanylidene-5-[(2S)-2-oxidanyl-3-[(phenylmethyl)amino]propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-1-oxidanylidene-5-[(2S)-2-oxidanyl-3-[(phenylmethyl)amino]propyl]-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2S)-3-(benzylamino)-2-hydroxy-propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2S)-2-hydroxy-3-[(phenylmethyl)amino]propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2S)-3-(benzylamino)-2-hydroxypropyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2S)-3-(benzylamino)-2-hydroxy-propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)CC(CNCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)C[C@H](CNCC4=CC=CC=C4)O

InChI

InChI=1S/C23H23N4O2/c1-16-11-22(29)27-21-10-6-5-9-20(21)26(23(27)19(16)12-24)15-18(28)14-25-13-17-7-3-2-4-8-17/h2-11,18,20,25,28H,13-15H2,1H3/q+1/t18-,20?/m0/s1